Approach for aftertreatment system modeling and model identification

ABSTRACT

A system and approach for catalyst model parameter identification with modeling accomplished by an identification procedure that may incorporate a catalyst parameter identification procedure which may include determination of parameters for a catalyst device, specification of values for parameters and component level identification. Component level identification may be of a thermal model, adsorption and desorption, and chemistry. There may then be system level identification to get a final estimate of catalyst parameters.

This application is a divisional of U.S. patent application Ser. No. 15/019,029, filed Feb. 9, 2016, which claims priority to European Patent Application 15155295.7, filed Feb. 16, 2015. U.S. patent application Ser. No. 15/019,029, filed Feb. 9, 2016, is hereby incorporated by reference.

BACKGROUND

The present disclosure pertains to engines with aftertreatment mechanisms, and particularly to models of them

SUMMARY

The disclosure reveals a system and approach for catalyst model parameter identification with modeling accomplished by an identification procedure that may incorporate a catalyst parameter identification procedure which may include determination of parameters for a catalyst device, specification of values for parameters and component level identification. Component level identification may be of a thermal model, adsorption and desorption, and chemistry. There may then be system level identification to get a final estimate of catalyst parameters.

BRIEF DESCRIPTION OF THE DRAWING

FIG. 1 is a diagram of a basic workflow chart;

FIG. 1 a is a diagram of a table listing of basic catalyst parameters and constants;

FIG. 1 b is a diagram of a table that lists parameters pertinent to a thermal model;

FIG. 1 c is a diagram of a table that lists parameters relevant for adsorption and desorption;

FIG. 1 d is a diagram of a table of parameters pertaining to chemical reactions;

FIG. 2 is a diagram of a component catalyst tree for a selective catalytic reduction (SCR) catalyst

FIG. 3 is a diagram of a component catalyst tree for a diesel oxidation catalyst (DOC);

FIG. 4 is a diagram of a table listing parameters for a catalyst component;

FIG. 5 is a diagram of a table listing parameters for a thermal model;

FIG. 6 is a diagram of a plot of a thermal model having a transient response with manual calibration;

FIG. 7 is a diagram of a plot of a thermal model having a steady state response with automatic calibration;

FIG. 8 is a diagram of a plot of a thermal model having a transient response with automatic calibration;

FIG. 9 is a diagram of a table listing of adsorption and desorption with parameters for a particular adsorbent, relative to component level identification;

FIG. 10 shows diagrams of graphs revealing adsorption and desorption activity with manual calibration for component level identification;

FIG. 11 is a diagram of graphs for component level identification of adsorption and desorption with automatic calibration of storage capacity based on measured ammonia outlet;

FIG. 12 is a diagram of a graph for component level identification of adsorption and desorption with automatic calibration relative to transient behavior;

FIG. 13 is a diagram of a table showing parameters relative to separable reactions for component level identification;

FIG. 14 is a diagram of graphs of plots for separable reactions with manual calibration for component level identification;

FIG. 15 is a diagram of graphs of plots for separable reactions with automatic calibration for component level identification;

FIG. 16 is a diagram of a graph of a plot for separable reactions with manual calibration relative to outlet temperature;

FIG. 17 is a diagram of a table parameters for not separable reactions of component level identification;

FIGS. 18, 19 and 20 are diagrams of plots each group of not separable reactions with manual calibration for a component level identification involving conversion files for NO, NO2 and NH3, respectively;

FIGS. 21, 22 and 23 are diagrams of plots for each group of not separable reactions with automatic calibration for a component level identification involving conversion profiles for NO, NO2 and NH3;

FIG. 24 is a diagram of graphs for not separable reactions with automatic calibration relative to outlet temperature;

FIG. 25 is a diagram of a block layout for SCR;

FIG. 26 is a diagram of a block layout for DOC;

FIG. 27 is a diagram of a SCR block showing inputs and outputs;

FIG. 28 is a diagram of a DOC block showing inputs and outputs;

FIG. 29 is a diagram of a table showing parameters for a system level identification;

FIG. 30 is a diagram of a navigation tree, table and graphs for an SCR steady-state data fit;

FIG. 31 is a diagram of a navigation tree, table and graphs for an SCR transient data fit;

FIG. 32 is a diagram of a navigation tree, table and graphs for a DOC steady-state data fit; and

FIG. 33 is a diagram of a navigation tree, table and graphs for a DOC transient data fit.

DESCRIPTION

The present system and approach may incorporate one or more processors, computers, controllers, user interfaces, wireless and/or wire connections, and/or the like, in an implementation described and/or shown herein.

This description may provide one or more illustrative and specific examples or ways of implementing the present system and approach. There may be numerous other examples or ways of implementing the system and approach.

Internal combustion engines appear as a significant source of exhaust pollutants and there appears a trend to reduce the emissions as much as possible. The limits may be prescribed by various emission standards, e.g., in Europe known as EURO. To achieve the emission limits, there appears a need to introduce new technologies and innovations. Typical monitored pollutants may include nitric oxide (NO), nitric dioxide (NO2), hydrocarbons (HC), carbon monoxide (CO), particulate matter (PM), and so forth. Various technologies may be used to reduce these pollutants, for example, exhaust gas recirculation (EGR) may have been introduced to significantly reduce NOx for diesel engines. In general, there may be some approaches in how to influence the pollutants that 1) incorporate preventing a forming of the pollutants beyond a set amount, and 2) reduce the already produced pollutants.

The first approach may mean that the engine produces less than or equal to an allowed amount of monitored emissions. This appears possible to a certain threshold only and it is not free as a cost is decreased fuel economy. Limitations for further reduction by this approach may incorporate technological and physical limits of the combustion process and overall engine efficiency. On the other hand, this approach may require slight modification of the engine only (exhaust gas recirculation) without extra hardware.

The second approach may require additional equipment to reduce the engine out pollutants. An idea may be to let an engine produce certain amount of pollutants, but the pollutants might be immediately reduced by an aftertreatment line. The advantage may be an improvement of fuel economy of the engine itself. On the other hand, aftertreatment systems may be required, which means additional costs for the engine applications. Furthermore, some aftertreatment systems (e.g., selective catalytic reduction (SCR), diesel oxidation catalyst (DOC) or selective catalytic reduction on-filter (SCRF)) may need to use a reduction agent (e.g., ammonia or urea), and this can imply an additional cost that should be considered when computing an overall engine fuel (or fluid) economy.

An introduction of SCR to reduce NOx may be a challenge from a control point of view and can be a candidate for an advanced control system approach. An engine together with an aftertreatment system may be a system which needs precise control. Engine overall optimization may be achieved by using an advanced control system approach and various optimization approaches, e.g., model based predictive control (MPC). The advanced control system may be model based and thus may appear necessary to deal with engine and aftertreatment system modeling.

Mathematical modeling of a catalyst (e.g., SCR, SCRF, LNT or DOC) for automotive applications may also cover a parameter identification procedure. An existence of an automatic parameter identification procedure of a catalyst model may be important for a practical mathematical model. The procedure should be as simple as possible, be robust and need to provide results with required accuracy for a given application. Practical identification procedures may be obtained by formulating the identification procedure as a mathematical optimization problem. The present approach may provide for a catalyst parameter identification.

A catalyst for automotive applications may be a device with highly nonlinear behavior. A modeling and model identification approach may be used. The model may have a number of parameters. An approach to identify these parameters may use some nonlinear optimization approach, and to identify virtually all the parameters at once. Such approach is not necessarily suitable for several reasons. Namely, there may be a possibility of existence of local extreme points. Nonlinearity may cause numerical instabilities or the optimization problem could be too large and therefore it may take much time to get some reasonable solution.

In addition, if measured data for the model fitting is taken just from on-engine experiments, certain key behaviors of the device may be difficult to observe due to the interdependencies of the input properties to the catalyst.

The following present approach may be used. The identification procedure may be broken into several smaller and better defined identification sub-issues. The present approach for a catalyst parameter identification may have main phases. Phase 1 may be a specification of initial values of parameters. Phase 2 may be a so-called component level identification. Phase 3 may be seen as a system level identification. Furthermore, the latter two phases may be divided into a steady state identification and a transient identification.

Component level identification of phase 2 may be performed by collecting data from a chemical flow bench or by other suitable approach. The flow bench may enable one to prepare an exhaust gas composition as needed by the experiment, and thus appear suitable for the component level identification. System level identification of phase 3 may be achieved by using exhaust gas engine out data.

Phase 1 may involve initial values of parameters (without data). Phase 1 may be where a user is asked to prepare the initial values of virtually all parameters for the catalyst. This phase may be a significant part as it could influence performance of the automatic tuning procedure. The automatic tuning procedure may be a numerical solution of an optimization task. It may start from some initial conditions and then iterate to a local optimal solution which is close to the starting point. If the starting point is close to the global optimal solution, then the optimization procedure may find the global optimal solution. The initial values specified by a user during this phase may be a starting point for Phase 2.

Phase 2 may be component level identification (using, e.g., data from a flow bench). The catalyst model may have a few basic components which can be seen as individual components since their parameters may be identified independently on the other components. The basic individual components may incorporate a 1) thermal subsystem or thermal model, 2) adsorption and desorption, and 3) chemical reactions.

The thermal subsystem may cover namely heat transfer in the catalyst. Assume an SCR system. In the SCR, the influence of chemical reactions to the thermal behavior may be negligible and therefore the parameters of this subsystem can be identified separately on other subsystems. The parameters may be, namely, heat transfer coefficients between gas, monolith, housing and ambient, and other parameters that influence the thermal behavior.

Adsorption and desorption may be of, for example, ammonia (a reductant) in the catalyst washcoat for various temperatures. To collect needed data, flow bench equipment may have to be used.

A few chemical reactions with a few parameters may need to be estimated. The parameters may be, namely, related to the reaction rates, e.g., pre-exponential factors, activation energy, reaction order, reaction rate exponents, heat of reaction, and so forth. Reactions considered in the SCR catalyst may be referred to as a standard SCR reaction, fast SCR reaction, slow SCR reaction, urea decomposition and ammonia oxidation. If there is just one pollutant in a reaction, e.g., a standard SCR reaction NO, then the reaction may be seen as one component and its parameters can be identified independently on other components, e.g., by using the flow bench data. Phase 2 results may be used as a starting point for phase 3. Phase 3 may be for system level identification.

To reiterate, the present approach may be implemented as a series of steps with some executed in an engine laboratory and others executed by a computer program The steps may be used as in the following: 1) Prepare and configure the catalyst mathematical model with virtually all needed components for an engine application; 2) (Phase 1) Estimate the initial values of virtually all needed parameters based on literature and the user's experiences; 3) Select the individual catalyst model components (thermal subsystems, adsorption and desorption subsystem, chemical reactions, and so forth), and design the identification experiments for the flow bench to get virtually all needed data for component level identification; 4) Set up the flow bench with the real catalyst for the experiments, perform the experiments and collect the needed data; 5) (Phase 2) Perform the component level identification based on the flow bench data; 6) Design the identification experiment for the catalyst model system level identification where the experiment may be based on the real catalyst connected with the engine; 7) Set up the engine with the catalyst device on the test bench and perform the experiments to collect required data; 8) (Phase 3) Perform the system level identification of the catalyst model to get a final set of catalyst model parameters.

An objective may be to sketch a high overview of an identification procedure for aftertreatment systems, namely, DOC, SCR and SCRF catalysts. A catalyst model structure may be noted. A catalyst model may have several parts that can be handled as individual components. One component may incorporate a thermal model that includes, namely, heat transfer from gas to monolith, from monolith to housing and from housing to ambient. Another component may incorporate adsorption and desorption that includes storage of chemical species for reaction, for instance, ammonia for SCR and oxygen for DOC. This component may be also used to model hydrocarbon storage for a DOC cold start. An additional component may incorporate a chemistry that includes chemical reactions and a reaction mechanism.

An identification concept may be noted. Identification should be simple, user friendly and an amount of needed data should be minimized. Several possible sets of data may incorporate information provided by a catalyst producer, flow bench data and on-engine data. A basic workflow chart 10 is shown in FIG. 1 .

Geometric parameters and constants may be noted. Fixed physical parameters may be such parameters that are known or can be directly measured. The basic needed parameters may be catalyst length, catalyst diameter, housing wall thickness, frontal flow area and molar weight of gas, as listed in a table of FIG. 1 a.

Initial values of parameters may be noted. This step in workflow chart 10 may represent a specification of initial values for virtually all parameters. One may see that there should be defined some default values for a case where a user is unable to specify any value.

The thermal model may be noted. The thermal model may include namely heat transfer from exhaust gas to monolith and from monolith to ambient through catalyst housing. This may be a first step where the parameters are estimated from data automatically. The data may be on-engine or flow bench. One may note that reactions with significant reaction heat need to be suppressed relative to virtually all data for this step. The pertinent parameters may be gas/monolith surface, hydraulic diameter, specific heat of monolith, monolith mass and thermal conductivity to ambient, as listed in a table of FIG. 1 b.

Adsorption and desorption may be noted. Adsorption and desorption may be estimated independently just when the flow bench data are available, otherwise they may need to be estimated together with (virtually all) chemical reactions. The parameters such as adsorption rate coefficient, desorption pre-exponential factor, desorption activation energy and catalyst capacity (sites), as shown in a table of FIG. 1 c , may be relevant for adsorption and desorption.

Separable chemical reactions may be noted. Separable chemical reactions may be such reactions that can be isolated from the others during the identification experiment (only one reaction takes place). An example of separable chemical reaction in SCR catalyst may be: 4-N1:1.₃+41VO.+O2-4iV+6H;s.O

Parameters for each chemical reaction, such as pre-exponential factor, activation energy, reaction rate exponents and heat of reaction, may be listed in a table of FIG. 1 d.

Remaining chemical reactions may be noted. This step may include identification of chemical reactions that cannot be separated, or corresponding flow bench data that are unavailable. The parameters for each remaining chemical reaction may be the same as for separable chemical reactions, as listed in the table of FIG. 1 d.

Scaling catalyst parameters may be noted. This may be an optional step that is used to scale the catalyst. It may be a usual practice that just one block of catalyst is used on the flow bench and then that the model is scaled by using appropriate catalyst parameters (e.g., catalyst length, diameter, volume, housing wall thickness, frontal flow area, molar weight of gas, and so on).

All or selected parameters may be noted. This step may be used whenever the flow bench data are unavailable, or to improve a fit by using the particular engine data. It may be assumed that any subset of parameters for identification can be selected by a user. This part may be the most flexible one in a sense of degrees of freedom

Identification by using steady state data may be noted. Steady state identification may be used in any step in the identification procedure. It may be fast and provide a good initial estimate for a transient identification part.

Identification by using transient data may be noted. Transient identification may be used in any step of the identification procedure. Transient identification should follow the steady state identification as the steady state identification may provide a good initial estimate for a transient identification.

A catalyst identification workflow may be noted in a chart 10 of FIG. 1 . From start 11, geometric parameters and constants at block 12 may obtained from vendor data 13. The parameters and constants may be a priori knowledge. Initial values of parameters may be obtained at block 14 from optional vendor data 15. The values may be raw estimates.

Component level identification (ID) of a thermal model 311 may be determined. A thermal model (excluding reaction heat) may be obtained at block 16 from on engine data and/or flow bench data 17.

As component level identification of adsorption/desorption 312 approaches, a question at symbol 18 may be asked as to whether flow bench data is to be used. If an answer is yes, then adsorption/desorption reactions may be noted at block 19 from flow bench data 21. As component level identification of chemistry 313 approaches, separable chemical reactions (including reaction heat) may be noted at block 22 from flow bench data 23 along with vendor data 24 with conversion efficiency. Remaining chemical reactions (including reaction heat may be noted at block 25 from flow bench data 26 along with vendor data 27 with conversion efficiency. Optionally, at block 28, catalyst parameters may be scaled.

At symbol 29, a question may be asked concerning whether engine data is to be used. If an answer is yes, then system level identification 314 of a steady state or transient nature can be proceeded to with all chemical reactions at once, or a selected subset of parameters may be used as noted at block 31. On engine data 32, and vendor data 32 with conversion efficiency 33 may be provided to block 31. Then the workflow may be finished at symbol 34.

If the answer to the question at symbol 29 is no, then the workflow may be finished at symbol 34.

If the answer to the question at symbol 18 is no relative to use of flow bench data, then a question whether a user is to use manual calibration at symbol 35. If the answer to the question is no, then proceeding to block 31 may be done. If the answer to the question is yes, then adsorption/desorption component level identification may be attained at block 36 with simulation only. Component level identification of chemistry may achieved with separable chemical reactions including reaction heat by simulation only at block 37 and the remaining chemical reactions including reaction heat at block 38 by simulation only at block 38. Then the catalyst parameters may be optionally scaled at block 28. The procedure may continue at symbol 29 and beyond as indicated herein.

The order of steps for a component level identification is needed for the catalyst identification workflow.

Data set types for the component level identification may incorporate global steady state/transient data and flow bench data. The global steady state data may incorporate that of all reactions and on-engine experiments. The flow bench data may incorporate only some set of reactions in progress for each individual separable reaction and for each adsorption/desorption reaction. Conversion efficiency may be noted for a particular reaction.

A component catalyst tree 41 for an SCR catalyst may be shown in FIG. 2 . Tree 41 may indicate the thermal model, adsorption/desorption reactions of ammonia, separable reactions of ammonia oxidation, SCR NO2 reaction and a standard SCR reaction. Not separable reactions may incorporate a fast SCR reaction.

A component catalyst tree 42 for DOC may be shown in FIG. 3 . Tree 42 may indicate the thermal model, adsorption/desorption reactions of oxygen and hydrogen-carbon, and separable reaction of NO oxidation, CO oxidation and HC oxidation. There are not necessarily any separable reactions.

FIG. 4 shows a table 44 of parameters for a catalyst component. Just general catalyst parameters are incorporated, such as catalyst length, diameter, housing wall thickness, molar weight of gas, channel cross section area, channel density, frontal area, catalyst effective volume and a number of cells. One star in the table means that frontal flow area and catalyst effective volume may be computed from the other parameters, or if they are not defined, a raw estimate may be set. Two stars mean that the number of cells may be set to a default value and set to be hidden.

FIG. 5 shows a table 45 of parameters for a thermal model. The parameters may incorporate monolith mass, heat transfer correction factor from monolith to ambient. Specific heat of the monolith is a parameter that influences only dynamic behavior. The parameters may also include thermal conductivity to ambient, hydraulic diameter and characteristic dimension of convection.

The component level identification of the thermal model may have data sets with no reaction heat, and can be steady state or transient. Signals that may be needed are, e.g., inlet/outlet temperature, inlet pressure, inlet flow and ambient temperature.

A steady state identification may incorporate a scatter plot and Coefficient of Determination (CoD). A transient identification may incorporate a plot with signal comparison such as catalyst dynamics.

FIG. 6 is a diagram of a plot 46 of a thermal model with manual calibration. A simulation may involve a random or predefined inlet temperature profile. Plot 46 shows gas inlet, ambient, monolith profile and gas outlet.

FIG. 7 is a diagram of a plot of the thermal model with automatic calibration. The identification may proceed automatically with a steady state and after that with a transient identification in a plot 48 in a diagram of FIG. 8 . The parameters may incorporate gas inlet, ambient, monolith profile, gas outlet measured, and gas outlet simulated.

FIG. 9 shows a table 49 of adsorption/desorption with parameters for a particular adsorbent, relative to component level identification. The parameters may incorporate adsorption rate exponents. The adsorption rate exponents may be assumed virtually always as a fixed value. The parameters may also incorporate an adsorption pre-exponential factor, a desorption pre-exponential factor, a desorption activation energy, and a catalyst capacity (sites) that may be a parameter that influences only dynamic behavior.

The component level identification may involve an adsorption/desorption model having flow bench data sets. An only absorbent present in a flow may be some inert gas such as N2. The data sets may be that of flow bench steady state, flow bench transient, and a storage curve. Signals that may be needed involve inlet temperature, inlet pressure, inlet flow, inlet/outlet concentration of absorbent, and ambient temperature. The identification process may be a steady state identification and a transient identification. The transient identification may incorporate sensor dynamics and catalyst dynamics.

FIG. 10 is a diagram of graph 51 revealing adsorption/desorption activity with manual calibration for component level identification.

FIG. 11 is a diagram of graphs 52 for component level identification of adsorption/desorption with automatic calibration relative to maximum storage and ammonia outlet. FIG. 12 is a diagram of graph 53 for component level identification of adsorption/desorption with automatic calibration relative to transient behavior. In graphs 52 and 53, identification may proceed automatically with steady state and after that with transient identification. FIG. 13 is a diagram of a table 54 showing parameters relative to separable reactions for component level identification. The parameters may incorporate a pre-exponential factor, activation energy, reaction rate exponents, and heat of reaction. Also, the parameters may incorporate diffusion parameters for temperature and diffusion for velocity that are parameters related to species and not the reaction itself.

Separable reactions for component level identification may have data sets relating to steady-state (flow bench) and an efficiency curve for a particular reaction. Signals needed may incorporate inlet/outlet temperature, inlet pressure, inlet flow, inlet concentration of adsorbent, inlet/outlet concentration of species participating in reaction, and ambient temperature. An identification process may be of a steady state.

FIG. 14 is a diagram of graphs 55 of plots for separable reactions with manual calibration for a conversion profile of CO and O2, for component level identification.

FIG. 15 is a diagram of graphs 57 of plots for separable reactions with automatic calibration for a conversion profile of CO and O2, for component level identification.

FIG. 16 is a diagram of graph 59 of a plot for separable reactions with manual calibration relative to outlet temperature.

FIG. 17 is a diagram of a table 60 of parameters for not reactions of component level identification. They consist of groups of reactions that take place together. Parameters for identification may be just those that have not yet been identified. Parameters may incorporate pre-exponential factors, activation energies, reaction rate exponents, heat of reactions, diffusion parameters for velocity, and diffusion parameters for temperature. Parameters may also incorporate several possible custom functions inhibition parameters, which are parameters used just for DOC if the inhibition is on, or some selection if it should be used.

Component level identification may be pursued in a case of non-separable reactions (groups) that may have sets of steady-state flow bench data. There may be an efficiency curve for a particular reaction. Signals that may be needed may incorporate inlet/outlet temperature, inlet pressure, inlet flow, inlet concentration of species participating in reactions, and ambient temperature. An identification process may be steady state. FIGS. 18, 19 and 20 are diagrams of plots 61, 62 and 63 for each group of separable reactions with manual calibration for component level identification involving conversion files for NO, NO2 and NH3, respectively.

FIGS. 21, 22 and 23 are diagrams of plots 64, 65 and 66 for each group of not separable reactions with automatic calibration for component level identification involving conversion profiles for NO, NO2 and NH3. FIG. 24 is a diagram of graphs 67 for not separable reactions with automatic calibration relative to outlet temperature.

Catalyst implementation may be noted. The catalyst may be of a continuous model, general enough to handle virtually any kind of reactions, be a MATLAB C-MEX S-function, have many parameters for identification, and have many parameters fixed for chosen chemical reactions.

The same block (MATLAB S-function) may be used for SCR, SCRF, DOC and the like. Just configuration and user data may be different.

Catalyst implementation may be noted. A nonlinear continuous 1D model that can handle any kind of reactions may be used. A MATLAB C-MEX S-function may be incorporated. Cca 30 parameters may be used for identification. Many parameters may be fixed for chosen chemical reactions. The parameters may be saved in block's user data.

FIG. 25 is a diagram of a block layout 70 for SCR. A subsystem 102 may represent engine exhaust with an outflow 103 to a urea injector 104. Urea 105 may be provided as an inflow to injector 104. A resulting outflow 106 may consist of NH3 as an inflow to an SCR component 107. An additional input 111 of catalyst surrounding temperature may go to SCR component 107. Component 107 may have an outflow 108 of NH3 provided as inflow to a modified boundary block 109 with NO, NO2, HC, and NH3 signals. An ambient pressure 112, ambient temperature 113 and ambient oxygen mass fraction (XO2) 114 may be input to modified boundary block 109. An outflow 115 from block 109 may go subsystem 102. In mass flow 116, in pressure 117, in temperature 118, in NO 119, in NO2 120 in NOx 121 and in NH3 122 may go to subsystem 102.

FIG. 26 is a diagram of a block layout 71 for DOC. A subsystem 102 may represent engine exhaust with an outflow 103 to an HC injector 125. A far post quantity (FPQ) 126, a far post timing (FPT) 127 and a close post quantity (CPQ) 128 may be input to HC injector 125. A resulting outflow 129 may consist of HC as an inflow to a standard DOC component 130. An additional input 131 of catalyst surrounding temperature may go to DOC component 130. Component 130 may have an outflow 132 of HC provided as inflow to a modified boundary block 109 with NO, NO2, HC, and NH3 signals. An ambient pressure 112, ambient temperature 113 and ambient O2 fraction 114 may be input to modified boundary block 109. An outflow 115 from block 109 may go subsystem 102. In mass flow 116, in pressure 117, in temperature 118, in NO 119, in NO2 120 in NOx 121, in NH3 122, and in HC 124 may go to subsystem 102.

SCR block 211 of diagram 73 in FIG. 27 may have inputs 212, 213, 214, 215, 216, 217, 218 and 219 corresponding to NH3, NO, NO2, O2, gas temperature (Tg), ambient temperature (Tamb), inlet pressure (Pin) and mass flow (Min), respectively. SCR block 211 may have outputs 221, 222, 223, 224 and 225 corresponding to NO, NO2, NH3, O2 and outlet gas temperature (Tg), respectively. A species input 231 to a catalyst 230 may incorporate inputs 232, 233, 234 and 235 corresponding to NH3, NO, NO2 and O2, respectively. Other inputs of catalyst 230 may incorporate gas input temperature 236, ambient temperature 237, gas pressure 238 and mass flow 239. Outputs of catalyst 230 may incorporate a species out 241, gas temperature out 242, monolith temperature out 243, coverage profile out 244, a gas temperature profile along axial direction of catalyst out 245, and monolith temperature profile along axial direction of catalyst out 246. Species out 241 may go to set of incorporating outputs 247, 248, 249 and 250 corresponding to NH3, NO, NO2 and O2, respectively.

DOC block 261 of diagram 74 in FIG. 28 may have inputs 262, 263, 264, 265, 266, 267, 268 and 269 corresponding to HC, NO, NO2, O2, inlet gas temperature (Tg), ambient temperature (Tamb), inlet pressure (Pin) and inlet mass flow (Min), respectively. DOC block 261 may have outputs 271, 272, 273, 274 and 275 corresponding to NO, NO2, HC, O2 and outlet gas temperature (Tg), respectively.

A species input to a catalyst 280 may incorporate inputs 282, 283, 284, 285 and 286 corresponding to CO which may be assumed as constant, NO, CH (C3H6), NO2, and O2, respectively. Other inputs of catalyst 280 may incorporate gas input temperatures 287, ambient temperature 288, gas pressure 289, and mass flow 290. Outputs of catalyst 280 may incorporate species out 291, temperature out 292, monolith temperature out 293, coverage profile along axial direction of catalyst out 294, a gas temperature profile along axial direction of catalyst out 295, and a monolithtemperature profile along axial direction of catalyst 296. Species out 291 may go to set of incorporating outputs 297, 298, 299, 300 and 301 corresponding to CO to terminator 8, NO, HC (C3H6), NO2 and O2, respectively.

FIG. 29 is a diagram of a table 75 of parameters for a system level identification. The table of parameters may incorporate frontal flow area, catalyst effective volume, heat transfer correction factor from gas to monolith, specific heat of monolith, adsorption pre-exponential factors, adsorption rate exponents, desorption pre-exponential factors, desorption activation energies, catalyst capacity (sites), pre-exponential factors, activation energies, reaction rate exponents, heat of reactions, diffusion parameters for velocity, diffusion parameters for temperature, inhibition parameters of a custom function 1, and inhibition parameter of a custom function 2. Adsorption rate exponents may be currently assumed as fixed and not used for identification. The specific heat of monolith and catalyst capacity may influence just a dynamic response.

FIG. 30 is a diagram of a set 76 of a navigation tree, table and graphs for an SCR steady-state data fit.

FIG. 31 is a diagram of a set 77 of a navigation tree, table and graphs for an SCR transient data fit.

FIG. 32 is a diagram of a set 78 of a navigation tree, table and graphs for a DOC steady-state data fit.

FIG. 33 is a diagram of a set 79 of a navigation tree, table and graphs for a DOC transient data fit.

To recap, an identification apparatus may incorporate a catalyst device for an engine, and a catalyst model of the catalyst device having a thermal model component, an adsorption and desorption component, a chemical reaction component, and a global component.

The thermal model component may represent heat transfer of the catalyst device, selected from a group consisting of heat transfer from gas to monolith, heat transfer from monolith to housing, and heat transfer from housing to ambient. The adsorption and desorption component may incorporate a storage of chemical species for reaction. The chemical reaction component may incorporate a reaction mechanism for chemical reactions.

Parameters for the catalyst model may be determined. Values of the parameters may be determined. Parameters of the thermal model may have values that are automatically estimated from data of on-engine or flow bench with reaction heat suppressed.

The adsorption and desorption of the adsorption and desorption component may be estimated independently when bench flow data are available but are estimated together with virtually all chemical reactions. The chemical reaction component may incorporate separable chemical reactions in that each chemical reaction can be isolated from the others during an identification process in that one reaction takes place at a time.

The chemical reaction component can further incorporate one or more inseparable chemical reactions.

Steady state data may be used in an identification. The identification based on steady state data may be an estimate for an identification based on transient data. Transient data may be used in an identification.

An approach for catalyst model identification may incorporate developing a catalyst model, processing a first phase having a specification of initial values for one or more parameters of the catalyst model, processing a second phase having a component level identification, and processing a third phase having a system level identification. The first, second and third phases may be processed by a computer.

Component level identification may incorporate a thermal model, adsorption and desorption, and chemical reactions. If there is one pollutant in a chemical reaction, then the chemical reaction may be of one component and parameters of the component that can be identified independently on other components from chemical flow bench data.

Developing the catalyst model may incorporate configuring the catalyst model with virtually all needed components for an engine application. The specification of initial values for one or more parameters of the catalyst model may incorporate estimating the initial values of virtually all needed parameters and selecting catalyst model components. System level identification may incorporate performing identification of the catalyst model to obtain a final set of parameters of the catalyst model.

Component level identification may incorporate steady state identification and transient identification. System level identification may incorporate steady state identification and transient identification.

A catalyst modeling mechanism may incorporate a computer, an engine from which an engine model is developed and stored in the computer, and a catalyst device, connected to the engine, from which a catalyst model is developed and stored in the computer.

The modeling may be accomplished by an identification procedure. The identification procedure may incorporate a catalyst parameter identification procedure. The catalyst parameter identification procedure may incorporate determination of parameters for the catalyst device, specification of values for the parameters, component level identification, and system level identification.

Component level identification may incorporate steady state identification and transient identification. System level identification may incorporate steady state identification and transient identification.

Component level identification may be obtained from data of a flow bench that permits preparation of exhaust gas composition from the engine. System level identification may be obtained from data of the exhaust gas composition from the engine. Component level identification may be determined from data selected from a group consisting of on engine data.

Results of the component level identification may be used as a starting point for system level identification. System level identification of the catalyst model may be performed to get a final set of parameters of the catalyst model.

In the present specification, some of the matter may be of a hypothetical or prophetic nature although stated in another manner or tense.

Although the present system and/or approach has been described with respect to at least one illustrative example, many variations and modifications will become apparent to those skilled in the art upon reading the specification. It is therefore the intention that the appended claims be interpreted as broadly as possible in view of the related art to include all such variations and modifications. 

What is claimed is:
 1. A catalyst modeling mechanism comprising: a computer; an engine from which an engine model is developed and stored in the computer; and a catalyst device, connected to the engine, from which a catalyst model is developed and stored in the computer; and wherein: the computer is configured to construct the catalyst model by an identification procedure; the identification procedure comprises a catalyst parameter identification procedure, which the computer is configured to perform by: determining catalyst parameters for the catalyst device; specifying initial values for the catalyst parameters; identifying components from flow bench data that permits preparation of exhaust gas composition from the engine; and identifying system level details from data of the exhaust gas composition from the engine, using the identified components from flow bench data as a starting point for identifying system level details; further wherein a final set of parameters of the catalyst model is generated from the identifying of system level details.
 2. The mechanism of claim 1, wherein: component level identification comprises steady state identification and transient identification; and system level identification comprises steady state identification and transient identification.
 3. A vehicle comprising the catalyst modeling mechanism of claim 1, including each of the engine and catalyst device, and an engine control unit, the engine control unit being configure to apply the catalyst model operate the engine and the catalyst device to prevent release of a contaminant the catalyst device is configured to react with.
 4. A method of catalyst modeling in a system that includes each of a computer; an engine from which an engine model is developed and stored in the computer; and a catalyst device, connected to the engine, from which a catalyst model is developed and stored in the computer; the method comprising using an identification procedure to accomplish the modelling, the identification procedure including a catalyst parameter identification procedure which comprises: determining catalyst parameters for the catalyst device; specifying initial values for the catalyst parameters; identifying components from flow bench data that permits preparation of exhaust gas composition from the engine; identifying system level details from data of the exhaust gas composition from the engine, using the identified components from flow bench data as a starting point for identifying system level details; and generating a final set of parameters of the catalyst model from the identifying of system level details.
 5. The method of claim 4, wherein: component level identification comprises steady state identification and transient identification; and system level identification comprises steady state identification and transient identification.
 6. The method of claim 4, further comprising controlling operation of the catalyst device and engine using the computer by applying the catalyst model to prevent release of a contaminant the catalyst device is configured to react with. 